Information card for entry 4328976

Structure parameters

• Formula: C18 H29 Cl6 O3 P Ru
• Calculated formula: C18 H29 Cl6 O3 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P]67OCC(CO6)(CO7)CC)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.ClCCl.ClCCl
• Title of publication: Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes
• Authors of publication: Evan E. Joslin; Claire L. McMullin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; William H. Myers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4791 - 4801
• a: 10.7611 ± 0.0003 Å
• b: 10.4473 ± 0.0003 Å
• c: 22.4999 ± 0.0006 Å
• α: 90°
• β: 99.312 ± 0.001°
• γ: 90°
• Cell volume: 2496.2 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No